[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methanamine

C11H15F3N4 — CID 19008878

IUPAC[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methanamine
SMILESNCC1CCN(c2ccnc(C(F)(F)F)n2)CC1
InChIInChI=1S/C11H15F3N4/c12-11(13,14)10-16-4-1-9(17-10)18-5-2-8(7-15)3-6-18/h1,4,8H,2-3,5-7,15H2
InChIKeyZAYJHGJCXGEIDB-UHFFFAOYSA-N
MW260.26 g/mol
LogP1.67
Rot. Bonds2

About [1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methanamine

[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methanamine (PubChem CID 19008878) has the molecular formula C11H15F3N4 and a molecular weight of 260.26 g/mol. Its IUPAC name is [1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methanamine
PubChem CID19008878
Molecular FormulaC11H15F3N4
Molecular Weight260.26 g/mol
Exact Mass260.12
IUPAC Name[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methanamine
SMILESNCC1CCN(c2ccnc(C(F)(F)F)n2)CC1
InChIInChI=1S/C11H15F3N4/c12-11(13,14)10-16-4-1-9(17-10)18-5-2-8(7-15)3-6-18/h1,4,8H,2-3,5-7,15H2
InChIKeyZAYJHGJCXGEIDB-UHFFFAOYSA-N
XLogP1.67
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methanamine?
The IUPAC name of [1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methanamine (CID 19008878) is [1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methanamine.
What is the SMILES notation for [1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methanamine?
The canonical SMILES for [1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methanamine is NCC1CCN(c2ccnc(C(F)(F)F)n2)CC1.
What is the InChIKey of [1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methanamine?
The InChIKey is ZAYJHGJCXGEIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4/c12-11(13,14)10-16-4-1-9(17-10)18-5-2-8(7-15)3-6-18/h1,4,8H,2-3,5-7,15H2.
What are the key properties of [1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methanamine?
[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methanamine has a molecular weight of 260.26 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methanamine is sourced from PubChem (CID 19008878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).